[3-[[nonanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[[nonanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[[isopropyl(nonanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[[1-oxononyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [3-[[nonanoyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[[isopropyl(pelargonyl)amino]methyl]phenyl] ester Formula: C25H34FNO4S MolecularWeight: 463.605163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(C)C

Isomeric SMILES

CCCCCCCCC(=O)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(C)C

InChI

InChI=1S/C25H34FNO4S/c1-4-5-6-7-8-9-13-25(28)27(20(2)3)19-21-11-10-12-23(18-21)31-32(29,30)24-16-14-22(26)15-17-24/h10-12,14-18,20H,4-9,13,19H2,1-3H3